N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide

Formula:C25H19N4OCl Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
MolecularFormula	C25H19N4OCl
Smiles	O=C(c1cc(-c2ccc(CC3)c4c3cccc24)n[nH]1)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C25H19ClN4O/c26-19(13-16-5-2-1-3-6-16)15-27-30-25(31)23-14-22(28-29-23)20-12-11-18-10-9-17-7-4-8-21(20)24(17)18/h1-8,11-15H,9-10H2,(H,28,29)(H,30,31)
InChIK	BPZZLZYFBUZWJQ-UHFFFAOYSA-N
TotalMolweight	426.906
Molweight	426.906
MonoisotopicMass	426.124738
CLogP	5.0465
CLogS	-7.237
H Acceptors	5
H Donors	2
TotalSurfaceArea	323.83
Relative PSA	0.18828
PolarSurfaceArea	70.14
Druglikeness	4.4978
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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